6-Methyl-8-[(27Z)-22,25,26-Trihydroxy-21,40-Dimethyl-3-Oxo-2,11,15,35,39-Pentaoxapentacyclo[32.2.2.1^12,16.1^20,24.0^10,14]Tetraconta-4,6,8,17,27,31,37-Heptaen-36-Yl]-7-Nonenoic Acid
[CAS# 100415-25-6]

Identification

• Name: 6-Methyl-8-[(27Z)-22,25,26-Trihydroxy-21,40-Dimethyl-3-Oxo-2,11,15,35,39-Pentaoxapentacyclo[32.2.2.1^12,16.1^20,24.0^10,14]Tetraconta-4,6,8,17,27,31,37-Heptaen-36-Yl]-7-Nonenoic Acid
• Synonyms: Sorangicin A; SRN
• Molecular Formula: C₄₇H₆₆O₁₁
• Molecular Weight: 807.02
• CAS Registry Number: 100415-25-6
• SMILES: O=C/2OC1/C=C/C(OC1C(=C/C(C)CCCCC(=O)O)\C)C\C=C/CC/C=C\C(O)C(O)C5OC(C/C=C\C4OC3CC(OC3/C=C\C=C\C=C\2)C4C)C(C)C(O)C5
• InChI: 1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6-,19-11-,20-12-,22-16-,24-13-,31-27-
• InChIKey: OTABDKFPJQZJRD-DGSBGYOVSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 959.362°C at 760 mmHg (Cal.)
• Flash point: 278.091°C (Cal.)
• Refractive index: 1.522 (Cal.)